CID 485486

5-(cyclobutylmethyl)-10h-indolo[3,2-b]quinolin-5-ium

Structural Information

Molecular Formula
C20H19N2
SMILES
C1CC(C1)C[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C20H18N2/c1-4-11-19-15(8-1)12-18-20(22(19)13-14-6-5-7-14)16-9-2-3-10-17(16)21-18/h1-4,8-12,14H,5-7,13H2/p+1
InChIKey
AKJGSXRDGPRRTL-UHFFFAOYSA-O
Compound name
5-(cyclobutylmethyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.15482 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.16210 164.1
[M+Na]+ 310.14404 173.4
[M-H]- 286.14754 170.2
[M+NH4]+ 305.18864 174.9
[M+K]+ 326.11798 163.3
[M+H-H2O]+ 270.15208 152.8
[M+HCOO]- 332.15302 181.8
[M+CH3COO]- 346.16867 175.0
[M+Na-2H]- 308.12949 173.4
[M]+ 287.15427 172.4
[M]- 287.15537 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.